6-(3-ethoxyphenyl)pyridin-2-amine

• ChemBase ID: 563451
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: n1c(c2cc(OCC)ccc2)cccc1N
• Canonical SMILES: CCOc1cccc(c1)c1cccc(n1)N
• InChI: InChI=1S/C13H14N2O/c1-2-16-11-6-3-5-10(9-11)12-7-4-8-13(14)15-12/h3-9H,2H2,1H3,(H2,14,15)
• InChIKey: FUBIYHHIXAOQPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-ethoxyphenyl)pyridin-2-amine
• IUPAC Traditional name: 6-(3-ethoxyphenyl)pyridin-2-amine
• Synonyms: 6-(3-ethoxyphenyl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.058506
• LogD (pH = 7.4): 2.7312903
• Log P: 2.7533174
• Molar Refractivity: 64.891 cm^3
• Polarizability: 25.929663 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.97
• LOG S: -3.3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3